butyl-[(2-fluoren-9-ylidene-1-adamantyl)oxy]-dimethylsilane

C29H36OSi — CID 67921626

IUPACbutyl-[(2-fluoren-9-ylidene-1-adamantyl)oxy]-dimethylsilane
SMILESCCCC[Si](C)(C)OC12CC3CC(CC(C3)C1=C1c3ccccc3-c3ccccc31)C2
InChIInChI=1S/C29H36OSi/c1-4-5-14-31(2,3)30-29-18-20-15-21(19-29)17-22(16-20)28(29)27-25-12-8-6-10-23(25)24-11-7-9-13-26(24)27/h6-13,20-22H,4-5,14-19H2,1-3H3
InChIKeyJAAONQCISDXVPO-UHFFFAOYSA-N
MW428.69 g/mol
LogP8.07
Rot. Bonds5

About butyl-[(2-fluoren-9-ylidene-1-adamantyl)oxy]-dimethylsilane

butyl-[(2-fluoren-9-ylidene-1-adamantyl)oxy]-dimethylsilane (PubChem CID 67921626) has the molecular formula C29H36OSi and a molecular weight of 428.69 g/mol. Its IUPAC name is butyl-[(2-fluoren-9-ylidene-1-adamantyl)oxy]-dimethylsilane.

Molecular Properties

Compound Namebutyl-[(2-fluoren-9-ylidene-1-adamantyl)oxy]-dimethylsilane
PubChem CID67921626
Molecular FormulaC29H36OSi
Molecular Weight428.69 g/mol
Exact Mass428.25
IUPAC Namebutyl-[(2-fluoren-9-ylidene-1-adamantyl)oxy]-dimethylsilane
SMILESCCCC[Si](C)(C)OC12CC3CC(CC(C3)C1=C1c3ccccc3-c3ccccc31)C2
InChIInChI=1S/C29H36OSi/c1-4-5-14-31(2,3)30-29-18-20-15-21(19-29)17-22(16-20)28(29)27-25-12-8-6-10-23(25)24-11-7-9-13-26(24)27/h6-13,20-22H,4-5,14-19H2,1-3H3
InChIKeyJAAONQCISDXVPO-UHFFFAOYSA-N
XLogP8.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.69
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl-[(2-fluoren-9-ylidene-1-adamantyl)oxy]-dimethylsilane?
The IUPAC name of butyl-[(2-fluoren-9-ylidene-1-adamantyl)oxy]-dimethylsilane (CID 67921626) is butyl-[(2-fluoren-9-ylidene-1-adamantyl)oxy]-dimethylsilane.
What is the SMILES notation for butyl-[(2-fluoren-9-ylidene-1-adamantyl)oxy]-dimethylsilane?
The canonical SMILES for butyl-[(2-fluoren-9-ylidene-1-adamantyl)oxy]-dimethylsilane is CCCC[Si](C)(C)OC12CC3CC(CC(C3)C1=C1c3ccccc3-c3ccccc31)C2.
What is the InChIKey of butyl-[(2-fluoren-9-ylidene-1-adamantyl)oxy]-dimethylsilane?
The InChIKey is JAAONQCISDXVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36OSi/c1-4-5-14-31(2,3)30-29-18-20-15-21(19-29)17-22(16-20)28(29)27-25-12-8-6-10-23(25)24-11-7-9-13-26(24)27/h6-13,20-22H,4-5,14-19H2,1-3H3.
What are the key properties of butyl-[(2-fluoren-9-ylidene-1-adamantyl)oxy]-dimethylsilane?
butyl-[(2-fluoren-9-ylidene-1-adamantyl)oxy]-dimethylsilane has a molecular weight of 428.69 g/mol, XLogP of 8.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[(2-fluoren-9-ylidene-1-adamantyl)oxy]-dimethylsilane is sourced from PubChem (CID 67921626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).